2-(3-piperazin-1-ylbut-1-en-2-yloxy)ethanimine

C10H19N3O — CID 123378360

IUPAC2-(3-piperazin-1-ylbut-1-en-2-yloxy)ethanimine
SMILES[H]/N=C/COC(=C)C(C)N1CCNCC1
InChIInChI=1S/C10H19N3O/c1-9(10(2)14-8-3-11)13-6-4-12-5-7-13/h3,9,11-12H,2,4-8H2,1H3/b11-3+
InChIKeyCYBPMFDVDTVKTK-QDEBKDIKSA-N
MW197.28 g/mol
LogP0.46
Rot. Bonds5

About 2-(3-piperazin-1-ylbut-1-en-2-yloxy)ethanimine

2-(3-piperazin-1-ylbut-1-en-2-yloxy)ethanimine (PubChem CID 123378360) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(3-piperazin-1-ylbut-1-en-2-yloxy)ethanimine.

Molecular Properties

Compound Name2-(3-piperazin-1-ylbut-1-en-2-yloxy)ethanimine
PubChem CID123378360
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(3-piperazin-1-ylbut-1-en-2-yloxy)ethanimine
SMILES[H]/N=C/COC(=C)C(C)N1CCNCC1
InChIInChI=1S/C10H19N3O/c1-9(10(2)14-8-3-11)13-6-4-12-5-7-13/h3,9,11-12H,2,4-8H2,1H3/b11-3+
InChIKeyCYBPMFDVDTVKTK-QDEBKDIKSA-N
XLogP0.46
TPSA48.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(1-piperazin-1-ylethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 145198211
2-piperazin-1-ylpropanamide;dihydrochloride
CID 54593431
4-methylpentan-2-yl 2-piperazin-1-ylpropanoate
CID 62310668
2,2-di(piperazin-1-yl)ethanimine
CID 56996932
2-piperazin-1-ylbutanimidamide
CID 54261988
2-(2-methylpropoxy)ethyl 2-piperazin-1-ylpropanoate
CID 106447975
N-butyl-N-methyl-2-piperazin-1-ylpropanamide
CID 43130649
1-[2-(1-piperidin-1-ylethyl)but-2-enyl]piperazine
CID 70026885
ethyl 3-methyl-2-piperazin-1-ylpentanoate
CID 61319359
1-(1-iodopropan-2-yl)piperazine
CID 69349965
ethyl 2-(1,4-diazepan-1-yl)-3-methylpentanoate
CID 61319156
methyl 2-[methyl(2-piperazin-1-ylpropanoyl)amino]acetate
CID 43130551

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperazin-1-ylbut-1-en-2-yloxy)ethanimine?
The IUPAC name of 2-(3-piperazin-1-ylbut-1-en-2-yloxy)ethanimine (CID 123378360) is 2-(3-piperazin-1-ylbut-1-en-2-yloxy)ethanimine.
What is the SMILES notation for 2-(3-piperazin-1-ylbut-1-en-2-yloxy)ethanimine?
The canonical SMILES for 2-(3-piperazin-1-ylbut-1-en-2-yloxy)ethanimine is [H]/N=C/COC(=C)C(C)N1CCNCC1.
What is the InChIKey of 2-(3-piperazin-1-ylbut-1-en-2-yloxy)ethanimine?
The InChIKey is CYBPMFDVDTVKTK-QDEBKDIKSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(10(2)14-8-3-11)13-6-4-12-5-7-13/h3,9,11-12H,2,4-8H2,1H3/b11-3+.
What are the key properties of 2-(3-piperazin-1-ylbut-1-en-2-yloxy)ethanimine?
2-(3-piperazin-1-ylbut-1-en-2-yloxy)ethanimine has a molecular weight of 197.28 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperazin-1-ylbut-1-en-2-yloxy)ethanimine is sourced from PubChem (CID 123378360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).